NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.7874 8.1633 120.2808 55.2341 34.0502 174.0248 2 K 4.7448 9.0480 121.9029 53.6140 36.9006 173.2273 3 K 4.8287 9.8074 125.8371 55.2318 34.5613 174.7719 4 I 4.7133 9.3206 129.7804 59.8102 39.2552 174.1762 5 E 5.0749 9.1837 128.5032 54.4428 32.1081 174.2058 6 A 5.0784 9.2245 129.7297 50.1326 22.2447 174.6780 7 I 4.7939 8.3990 123.8395 60.0228 38.8179 175.3751 8 V 5.0305 8.8323 120.6489 58.9293 35.7584 175.9852 9 R 4.1686 8.5460 121.3820 56.1886 30.3181 177.8418 10 A 4.0780 8.8275 123.9022 55.6467 18.1007 179.9818 11 E 4.0149 8.1754 115.4985 59.1732 29.9072 178.9182 12 K 4.2210 7.9773 118.0126 57.9227 32.2796 178.6005 13 F 4.0182 7.8029 120.7740 61.2399 39.1289 175.3149 14 P 3.9880 0.0000 0.0000 65.7845 31.0731 178.3711 15 E 3.8991 7.9443 116.7307 59.2743 29.4701 179.6158 16 V 3.7482 7.3461 119.1192 65.1206 31.6975 177.6969 17 K 3.6313 7.4776 119.3296 59.3923 32.0007 178.3610 18 A 3.9292 8.1154 121.0107 55.3675 18.0956 179.5257 19 A 3.9545 7.7745 117.6685 55.0210 18.6757 179.7654 20 L 4.1076 7.7955 117.1610 58.1977 41.7921 179.4696 21 E 3.8135 8.1225 118.4349 59.3235 29.1708 179.0164 22 E 4.0233 8.3141 118.3160 58.2074 29.5970 177.5061 23 R 4.4300 7.6413 116.2712 55.6468 30.4303 175.9781 24 G 3.2354 7.8149 105.2826 46.7377 0.0000 175.4221 25 F 4.4171 7.5374 119.5947 55.6707 38.0418 175.2768 26 Y 4.6611 7.3860 122.3344 57.4225 40.2829 175.8454 27 G 4.0107 8.8992 108.5932 47.3214 0.0000 173.7628 28 M 4.5958 8.1237 115.8786 54.9768 32.8784 175.2284 29 T 4.6556 9.1104 117.1791 61.8708 71.1815 173.4679 30 V 4.7487 8.4355 125.8673 61.3624 34.0033 174.7462 31 T 4.6483 8.4447 123.3846 61.7477 72.5474 172.7716 32 D 4.7356 8.7461 126.3652 54.2692 41.6706 175.9556 33 V 4.6313 8.6795 115.8491 59.4902 36.5255 174.3473 34 K 4.9645 8.1636 119.9608 55.2840 35.1250 176.6879 35 G 3.8341 9.1660 108.5399 47.5262 0.0000 174.4642 36 R 3.8162 9.4481 119.8853 56.7974 31.8460 179.6762 37 G 4.0510 8.9981 112.3497 46.4049 0.0000 172.2223 38 Q 4.5381 8.1989 126.2794 55.1952 31.7260 172.6010 *52 E 4.0967 8.6896 125.6915 56.0749 30.4540 175.6343 53 V 3.9485 8.2355 122.8285 62.5274 32.1584 176.2971 54 T 3.9958 7.6025 118.5277 63.5396 68.8636 173.8546 55 L 4.5376 8.4208 126.6241 54.0529 42.2316 176.0264 56 L 4.8070 8.8201 125.3833 51.9512 44.1649 174.6862 57 P 4.8076 0.0000 0.0000 63.9867 31.8831 175.2943 58 K 4.6742 9.4785 121.1064 55.2913 37.7485 174.5280 59 V 4.5089 8.5692 120.3672 61.2437 33.9130 174.2728 60 K 4.8986 8.8602 129.9404 55.0335 34.1644 174.7216 61 L 5.2739 9.1756 128.9944 53.2961 45.4572 174.7224 62 E 5.2888 9.2617 124.8664 54.6124 33.2498 174.6498 63 I 4.8182 8.9469 124.3057 59.2970 41.7043 173.7042 64 V 4.8733 8.5952 129.3877 61.6580 32.4764 174.9945 65 V 4.7405 8.5881 120.5823 58.9318 36.3092 175.7152 66 K 4.3185 8.6496 121.2104 56.5510 32.6443 177.8856 67 D 4.4119 8.9891 122.2795 57.8463 40.8250 178.1866 68 D 4.7936 8.1109 114.6170 53.5531 39.7833 176.7833 69 A 4.7215 8.1060 121.0140 52.3584 20.2488 178.0096 70 V 3.3651 7.4764 115.0001 66.8085 31.3646 177.4391 71 E 3.8898 8.1311 117.1315 59.4849 29.5370 179.2319 72 E 3.8397 8.0539 118.5843 59.5143 29.8124 179.1880 73 V 3.3219 7.3894 112.0574 64.1424 31.3917 178.4668 74 I 3.7112 7.9072 119.9355 64.5415 37.1112 178.6842 75 G 3.5289 8.0095 106.3027 47.7690 0.0000 175.8109 76 L 4.0567 7.9188 121.1902 57.1532 41.5538 179.6555 77 I 3.8372 7.9859 120.3536 64.2493 37.3157 178.7202 78 V 3.6813 7.9061 113.3934 64.5617 31.1394 178.4827 79 N 4.4009 7.9376 115.2044 55.8191 38.6270 177.0505 80 S 4.3996 7.8444 114.2697 60.0207 63.4165 175.6483 81 A 4.3730 7.8586 122.5470 51.8154 19.3493 177.2892 82 F 4.2387 7.6730 120.2248 58.4632 40.0742 174.4521 83 T 4.0734 7.7714 115.2262 63.3009 70.4278 174.5930 84 G 3.5537 7.4543 109.3948 45.4062 0.0000 174.5375 85 S 4.3465 7.5696 115.2739 56.9774 63.6161 171.9259 86 P 4.2806 0.0000 0.0000 64.1094 31.4064 176.7455 87 G 4.1102 8.9988 109.0482 45.4863 0.0000 174.4544 88 D 4.2863 7.5306 119.8994 56.5915 41.1054 174.8109 89 G 4.2384 7.9082 101.6010 44.6302 0.0000 172.4356 90 K 4.5459 8.2530 115.8461 54.8097 36.8831 175.4877 91 I 4.6835 7.8668 123.0245 59.5183 39.8932 174.7981 92 F 5.0274 8.8420 126.1405 55.7748 41.8177 174.8798 93 I 4.8824 8.5154 123.1592 59.9077 38.8247 174.9105 94 I 4.6620 8.3123 128.8672 58.3270 39.7064 173.8863 95 P 4.6841 0.0000 0.0000 63.0330 32.0137 175.7450 96 V 4.3791 8.0633 121.3158 61.5893 33.4471 175.1215 97 E 4.3395 9.0172 126.6356 58.1941 30.3792 175.9890 98 D 4.7256 7.6439 114.7258 52.6851 44.5198 173.8257 99 V 4.6047 8.1946 123.2771 61.1385 35.1049 174.2512 100 V 4.8638 8.1410 124.3197 61.2439 34.6685 174.1657 101 R 4.4083 8.9877 128.9188 55.0185 30.8501 177.1132 102 I 3.7111 8.6048 127.8253 64.4767 37.4747 177.5039 103 R 4.0533 8.1061 119.4055 58.5335 30.0456 176.7929 104 T 4.3711 7.7822 104.8679 60.3148 70.4328 175.0276 105 G 3.8877 8.3768 109.7274 45.6057 0.0000 173.4413 106 E 4.1478 7.7537 121.1115 55.8807 30.3626 176.2550 107 R 5.7443 7.5392 122.8171 54.8184 33.3223 175.4490 108 G 3.9388 8.4168 106.9459 46.4855 0.0000 173.7018 109 D 4.3944 8.5681 116.5329 57.5250 41.0323 178.4178 110 D 4.3977 8.0764 117.7623 56.7958 40.9057 177.4678 111 S 4.4687 7.5479 111.4588 58.9756 63.5852 174.2630 112 L 4.2790 7.8657 126.3714 54.9517 41.4700 176.1551 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 1 M 8.16 4.79 0.00 2.01 2.07 0.00 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.78 2.61 0.00 2 K 9.05 4.74 0.00 1.63 1.66 0.00 1.68 0.00 0.00 1.63 0.00 0.00 3.02 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.53 1.61 7.81 3 K 9.81 4.83 0.00 1.83 1.81 0.00 1.64 0.00 0.00 1.67 0.00 0.00 2.89 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.40 1.43 7.81 4 I 9.32 4.71 1.84 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.82 0.86 0.00 0.00 5 E 9.18 5.07 0.00 2.12 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.32 0.00 6 A 9.22 5.08 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 I 8.40 4.79 1.87 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.90 0.93 0.00 0.00 8 V 8.83 5.03 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.00 0.00 1.14 0.00 0.00 9 R 8.55 4.17 0.00 1.88 2.01 0.00 3.10 0.00 0.00 3.31 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.62 0.00 10 A 8.83 4.08 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 E 8.18 4.01 0.00 1.94 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.47 0.00 12 K 7.98 4.22 0.00 1.88 1.86 0.00 1.84 0.00 0.00 1.57 0.00 0.00 2.90 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.73 7.81 13 F 7.80 4.02 0.00 3.23 3.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 P 0.00 3.99 0.00 2.16 2.08 0.00 3.83 0.00 0.00 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.28 0.00 15 E 7.94 3.90 0.00 2.14 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.29 0.00 16 V 7.35 3.75 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.91 0.00 0.00 17 K 7.48 3.63 0.00 0.90 1.59 0.00 1.85 0.00 0.00 1.64 0.00 0.00 3.00 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.40 1.46 7.81 18 A 8.12 3.93 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 A 7.77 3.95 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 L 7.80 4.11 0.00 2.02 1.93 0.82 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 21 E 8.12 3.81 0.00 2.11 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.51 0.00 22 E 8.31 4.02 0.00 2.21 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.36 0.00 23 R 7.64 4.43 0.00 1.97 2.18 0.00 3.38 0.00 0.00 3.28 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.61 0.00 24 G 7.81 3.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 F 7.54 4.42 0.00 2.95 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 Y 7.39 4.66 0.00 2.99 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 G 8.90 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 M 8.12 4.60 0.00 2.14 2.17 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.71 0.00 29 T 9.11 4.66 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 30 V 8.44 4.75 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.41 0.00 0.00 0.89 0.00 0.00 31 T 8.44 4.65 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 32 D 8.75 4.74 0.00 2.53 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 V 8.68 4.63 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 0.94 0.00 0.00 34 K 8.16 4.96 0.00 1.59 1.67 0.00 1.78 0.00 0.00 1.84 0.00 0.00 2.81 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.31 1.39 7.81 35 G 9.17 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 R 9.45 3.82 0.00 1.85 1.62 0.00 3.28 0.00 0.00 3.24 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.69 0.00 37 G 9.00 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 Q 8.20 4.54 0.00 2.01 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.48 0.00 0.00 0.00 0.00 0.00 2.08 2.12 0.00 *52 E 8.69 4.10 0.00 1.97 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.44 0.00 53 V 8.24 3.95 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 0.93 0.00 0.00 54 T 7.60 4.00 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 55 L 8.42 4.54 0.00 1.53 1.63 0.92 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 56 L 8.82 4.81 0.00 1.56 1.56 0.92 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 57 P 0.00 4.81 0.00 2.06 2.06 0.00 3.72 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.01 0.00 58 K 9.48 4.67 0.00 1.63 1.84 0.00 1.61 0.00 0.00 1.58 0.00 0.00 2.96 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.35 1.54 7.81 59 V 8.57 4.51 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.07 0.00 0.00 0.78 0.00 0.00 60 K 8.86 4.90 0.00 1.86 1.62 0.00 1.85 0.00 0.00 1.61 0.00 0.00 2.82 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.39 1.41 7.81 61 L 9.18 5.27 0.00 1.79 1.65 1.14 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 62 E 9.26 5.29 0.00 1.93 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.24 0.00 63 I 8.95 4.82 1.91 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 1.55 0.87 0.00 0.00 64 V 8.60 4.87 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 0.96 0.00 0.00 65 V 8.59 4.74 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 0.92 0.00 0.00 66 K 8.65 4.32 0.00 1.91 1.76 0.00 1.62 0.00 0.00 1.87 0.00 0.00 3.03 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.55 1.76 7.81 67 D 8.99 4.41 0.00 2.79 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 D 8.11 4.79 0.00 2.80 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 A 8.11 4.72 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 V 7.48 3.37 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.97 0.00 0.00 71 E 8.13 3.89 0.00 2.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.32 0.00 72 E 8.05 3.84 0.00 2.05 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.43 0.00 73 V 7.39 3.32 1.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.27 0.00 0.00 0.78 0.00 0.00 74 I 7.91 3.71 1.96 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.67 0.87 0.00 0.00 75 G 8.01 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 L 7.92 4.06 0.00 1.72 1.66 0.91 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 77 I 7.99 3.84 1.81 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.75 0.89 0.00 0.00 78 V 7.91 3.68 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 0.88 0.00 0.00 79 N 7.94 4.40 0.00 2.77 2.84 0.00 0.00 7.06 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 S 7.84 4.40 0.00 4.15 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 A 7.86 4.37 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 F 7.67 4.24 0.00 3.19 2.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 T 7.77 4.07 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 84 G 7.45 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 S 7.57 4.35 0.00 3.81 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 P 0.00 4.28 0.00 2.02 1.98 0.00 3.61 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.07 0.00 87 G 9.00 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 D 7.53 4.29 0.00 2.75 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 G 7.91 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 K 8.25 4.55 0.00 1.15 1.08 0.00 1.86 0.00 0.00 2.02 0.00 0.00 3.02 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.39 1.44 7.81 91 I 7.87 4.68 1.74 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.48 0.83 0.00 0.00 92 F 8.84 5.03 0.00 3.02 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 I 8.52 4.88 1.90 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.86 0.93 0.00 0.00 94 I 8.31 4.66 1.91 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.89 0.92 0.00 0.00 95 P 0.00 4.68 0.00 2.08 2.07 0.00 3.71 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.97 0.00 96 V 8.06 4.38 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 0.95 0.00 0.00 97 E 9.02 4.34 0.00 2.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.29 0.00 98 D 7.64 4.73 0.00 2.57 2.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 V 8.19 4.60 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.95 0.00 0.00 100 V 8.14 4.86 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 0.94 0.00 0.00 101 R 8.99 4.41 0.00 1.92 1.79 0.00 3.16 0.00 0.00 3.18 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.61 0.00 102 I 8.60 3.71 1.88 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.66 0.92 0.00 0.00 103 R 8.11 4.05 0.00 1.77 1.96 0.00 3.18 0.00 0.00 3.28 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.62 0.00 104 T 7.78 4.37 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 105 G 8.38 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 E 7.75 4.15 0.00 1.99 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.28 0.00 107 R 7.54 5.74 0.00 1.81 2.18 0.00 3.47 0.00 0.00 3.89 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.54 0.00 108 G 8.42 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 D 8.57 4.39 0.00 2.73 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 D 8.08 4.40 0.00 2.82 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 S 7.55 4.47 0.00 4.03 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 L 7.87 4.28 0.00 1.82 1.65 0.96 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.